5EKE

Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (F215A mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-31
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	154.135, 142.243, 102.010
Unit cell angles	90.00, 97.16, 90.00

Refinement procedure

Resolution	34.384 - 3.001
R-factor	0.25
Rwork	0.249
R-free	0.27650
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.531
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.14)
Refinement software	PHENIX (dev_2165)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.384	34.380	3.110
High resolution limit [Å]	3.000	11.230	3.000
Rmerge	0.045	0.026	1.263
Rpim	0.025	0.015	0.696
Total number of observations	182807	3256	18832
Number of reflections	43376
<I/σ(I)>	19.1	66.2	1.1
Completeness [%]	99.4	95.4	97.8
Redundancy	4.2	3.9	4.2
CC(1/2)	0.999	0.997	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	295	600 nL protein + 300 nL of reservoir composed as follows: containing 16-18% PEG600 (v/v), 0.12 M Tris/HCl, pH 9.0, 0.1 M NaCl and 1 mM TCEP) under 1 uL of silicone oil, in 96-well Axygen sitting-drop plates. Crystals typically appeared after 1-2 days and grew to a final size of approximately 150 um in each dimension